- InChI
- InChI=1S/C8H9Cl/c1-2-7-4-3-5-8(9)6-7/h3-6H,2H2,1H3
- InChI Key
- LOXUEGMPESDGBQ-UHFFFAOYSA-N
- Formula
- C8H9Cl
- SMILES
- CCc1cccc(Cl)c1
- Molecular Weight1
- 140.61
- CAS
- 620-16-6
- Other Names
-
- 1-Chloro-3-ethylbenzene
- 3-Ethylchlorobenzene
- m-Chloroethylbenzene
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3295 | Relay (1.0) Calculated Property | |
| ΔfG° | 107.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -9.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | -50.71 | kJ/mol | NIST |
| ΔfusH° | 14.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.902 | Crippen Calculated Property | |
| McVol | 112.060 | ml/mol | McGowan Calculated Property |
| Pc | 3431.89 | kPa | Joback Calculated Property |
| Inp | 1036.00 | NIST | |
| Tboil | [456.92; 457.15] | K |
|
| Tboil | 457.00 | K | NIST |
| Tboil | 457.15 ± 1.50 | K | NIST |
| Tboil | 456.92 ± 0.07 | K | NIST |
| Tc | 664.90 | K | Relay (1.0) Calculated Property |
| Tfus | 218.11 ± 0.05 | K | NIST |
| Vc | 0.415 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [46.40; 46.80] | kJ/mol | [372.50; 433.00] |
|
| ΔvapH | 46.40 | kJ/mol | 372.50 | NIST |
| ΔvapH | 46.40 | kJ/mol | 402.50 | NIST |
| ΔvapH | 46.80 | kJ/mol | 433.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 359.30 | K | 4.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [133.89; 318.76] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.10990e+01 | |||
| Coefficient B | 6.32220e-01 | |||
| Coefficient C | -3.95960e-04 | |||
| Coefficient D | 9.36000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 133.89 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 167.15 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 196.54 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 222.36 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 244.90 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 264.45 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 281.32 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 295.80 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 308.18 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 318.76 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0045560; 0.0002302] | Pa×s | [218.11; 469.00] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.09720e+01 | |||
| Coefficient B | 1.21720e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 218.11 | |||
| Temperature range, max. | 469.00 | |||
| η | 0.0045560 | Pa×s | 218.11 | Calculated Property |
| η | 0.0024206 | Pa×s | 245.99 | Calculated Property |
| η | 0.0014628 | Pa×s | 273.86 | Calculated Property |
| η | 0.0009702 | Pa×s | 301.74 | Calculated Property |
| η | 0.0006897 | Pa×s | 329.62 | Calculated Property |
| η | 0.0005172 | Pa×s | 357.49 | Calculated Property |
| η | 0.0004043 | Pa×s | 385.37 | Calculated Property |
| η | 0.0003267 | Pa×s | 413.25 | Calculated Property |
| η | 0.0002712 | Pa×s | 441.12 | Calculated Property |
| η | 0.0002302 | Pa×s | 469.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [335.56; 487.48] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.41534e+01 | |||
| Coefficient B | -3.70742e+03 | |||
| Coefficient C | -6.81820e+01 | |||
| Temperature range, min. | 335.56 | |||
| Temperature range, max. | 487.48 | |||
| Pvap | 1.33 | kPa | 335.56 | Calculated Property |
| Pvap | 3.04 | kPa | 352.44 | Calculated Property |
| Pvap | 6.31 | kPa | 369.32 | Calculated Property |
| Pvap | 12.13 | kPa | 386.20 | Calculated Property |
| Pvap | 21.83 | kPa | 403.08 | Calculated Property |
| Pvap | 37.13 | kPa | 419.96 | Calculated Property |
| Pvap | 60.15 | kPa | 436.84 | Calculated Property |
| Pvap | 93.43 | kPa | 453.72 | Calculated Property |
| Pvap | 139.85 | kPa | 470.60 | Calculated Property |
| Pvap | 202.65 | kPa | 487.48 | Calculated Property |
| Pvap | [0.13; 101.40] | kPa | [291.80; 454.30] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.51669e+01 | |||
| Coefficient B | -4.44410e+03 | |||
| Coefficient C | -3.29720e+01 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 291.80 | |||
| Temperature range, max. | 454.30 | |||
| Pvap | 0.13 | kPa | 291.80 | Calculated Property |
| Pvap | 0.41 | kPa | 309.86 | Calculated Property |
| Pvap | 1.10 | kPa | 327.91 | Calculated Property |
| Pvap | 2.63 | kPa | 345.97 | Calculated Property |
| Pvap | 5.71 | kPa | 364.02 | Calculated Property |
| Pvap | 11.44 | kPa | 382.08 | Calculated Property |
| Pvap | 21.39 | kPa | 400.13 | Calculated Property |
| Pvap | 37.72 | kPa | 418.19 | Calculated Property |
| Pvap | 63.23 | kPa | 436.24 | Calculated Property |
| Pvap | 101.40 | kPa | 454.30 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-chloro-3-ethyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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